Geometry & MOs

Info

ID:	78107
PubChem CID:	49681676
Reduced:	S2N3O5C22H23 (1)
Stoich.:	A2B3C5D22E23 (1)
Weight, g/mol:	471.092263
ΔH_f, kcal/mol:	-97.14
Dipole, Da:	9.31
IP(EA), eV:	-8.72(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(propan-2-yl)sulfamoyl]-N-(7-prop-2-ynyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC4=C(C=C3S2)OCO4)CC=C

DOS

IR

Vibrations